Chemical Reaction Engineering Blog Posts
An Analysis of Syngas Combustion in a Round-Jet Burner
By combining the Reacting Flow interface and the Heat Transfer in Solids interface, we can study the syngas combustion in a round-jet burner. Get details…
Using Simulation to Optimize Biopharmaceutical Processes
Did you know that you can use COMSOL Multiphysics® to study biopharmaceutical processes? Examples include pharmaceutical mixers, injection devices, dielectrophoretic separation, and more >>
Simulating an Ideal Stirred Tank Reactor System
The Generic CSTR reactor type in the Reaction Engineering interface can be used to easily model continuous stirred tank reactors (CSTRs), or ideal stirred tank reactors.
New and Revamped Chemical Engineering Interfaces
Get an overview of the modeling interfaces for reaction engineering and mass transport in COMSOL Multiphysics®, including the Chemistry and Reaction Engineering interfaces.
Modeling Approaches in Heterogeneous Catalysis
Get an introduction to heterogeneous catalysis, the main steps for chemical species in heterogeneous catalytic reactions, adsorption-desorption models, surface reactions, and much more…
Apps for Teaching Mathematical Modeling of Tubular Reactors
Chemical engineering students can use the Tubular Reactor app to model a nonideal tubular reactor and investigate the impact of different operating conditions. Learn more >>
Multiscale Reactors: Cleaning the Flows
Packed bed reactors are used in chemical synthesis and for effluent treatment and catalytic combustion, are often required for heterogeneous catalysis, and commonly include catalyst pellets.
Modeling Hydrodealkylation in a Membrane Reactor
Hydrodealkylation is a hydrogen-intensive process. We demonstrate using the thermodynamics modeling features in the COMSOL® software to analyze this process in a membrane reactor.
Modeling Reacting Flow in Porous Media
This blog post and embedded tutorial video demonstrate what inputs are required and what results you can obtain when modeling a porous reactor in COMSOL Multiphysics®.
Sometimes a Cigar Is More Than Just a Cigar
Are you a casual stogie fan? A cigar aficionado? We show off a simple model of a cigar to study the temperature distribution of the smoke and concentration of oxygen.
Isoelectric Focusing and the Migration of Chemical Species
Isoelectric focusing is a type of electrophoresis used by researchers to identify small chemical differences between molecules. Learn about using the COMSOL® software to analyze this process.
Modeling High-Performance Liquid Chromatography
High-performance liquid chromatography involves mixing a solvent from a reservoir with a sample zone containing the analytes to be separated and then pumping the mixture into an injector.
Ammonia Synthesis, a Complex and Nonlinear Process
In the final installment of our Chemical Kinetics blog series, we discuss the complex and nonlinear process of synthesizing ammonia. Get an overview of the equations and modeling considerations.
Chemical Parameter Estimation Using COMSOL Multiphysics
In this installment of our blog series on chemical kinetics, we discuss how to estimate the chemical parameters of your model in COMSOL Multiphysics®.
Enzyme Kinetics, Michaelis-Menten Mechanism
For the 100-year anniversary of the Michaelis–Menten mechanism, we honor the trailblazing publication the best way we know how — with simulation.
Buoyancy-Driven μPCR for DNA Amplification
True crime + simulation: The more DNA in a sample, the easier it is to accurately test and identify biomolecules, cells, and even an entire person during forensic investigations.
A General Introduction to Chemical Kinetics, Arrhenius Law
Countless complications and pitfalls make chemical simulations challenging. Here, we give an introduction to chemical kinetics and Arrhenius law to help >>
Research on Microwave Heating and Chemical Applications
There were many interesting posters at this year’s COMSOL Conference in Boston. A couple that caught my eye involved microwave heating and chemical applications. One of them showcases the use of microwave irradiation to speed up chemical reactions. Another — one of the recipients of the Best Poster award — used simulations to optimize their microreactor design with respect to microwave propagation.
Modeling Chemical Reactions: Thermal Stress Analysis
The beauty of COMSOL is that it provides a unified modeling platform no matter what type of simulations you are performing. This is almost unique to the CAE market. Recently we showed you how to model chemical reactions using a monolith reactor as our example. First we walked you through solving the reaction kinetics and then involving plug flow, next we created a full-scale 3D model of the reactor. A chemical engineer may feel comfortable using a software optimized for […]
Optimal Distribution: Tree Roots and Microreactors
I love trees and my favorite is definitely the ficus, all varieties included. A few weeks ago I had the chance to admire a stately ficus microcarpa (see figure below). What struck me above all were its aerial roots. Roots are designed to absorb water and nutrients, sustaining the tree and synthesizing substances responsible for its growth. A thought crossed my mind right away: the shape of those roots and the way they coalesce have surely been optimized by Mother […]
Modeling Chemical Reactions: 3D Model of a Monolith Reactor
In a previous blog post we dealt with the reaction kinetics and modeled plug flow of a monolithic reactor in the exhaust system of a car. The goal was to determine the ideal dosage of ammonia to reduce the nitrogen oxide levels emitted into the air. After understanding the chemistry of our problem, it is now time for the second part in our “Modeling Chemical Reactions” blog series. Here, we will go through the steps of generating a 3D model […]
Modeling Chemical Reactions: Kinetics
In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. This is the first of a series of blog posts on chemical reaction engineering, and here we will have a look at the initial stages of modeling the application: the chemical reaction kinetics.
Injectable Microbubbles in Hydrology and Healthcare
Microbubbles filled with oxygen can be injected into contaminated lakes to restore the water quality. Typically, water is purified via water-treatment plants, but this microbubble technique is both inexpensive and more environmentally-friendly in comparison. As seen in a COMSOL News 2011 article, oxygen microbubbles are a researcher’s way of copying nature’s own self-restoration mechanism for cleaning contaminated lakes.
Modeling Static Mixers
A mixer that doesn’t move may sound like an oxymoron, but it’s not. Used in various chemical species transport applications, static mixers are inexpensive, accurate, and versatile. Still, there is always room for improvement. Optimizing the design of static mixers calls for computer modeling, but traditional CFD methods may not be the best way to model these mixers. How do these motionless mixers work and how can their performance be simulated?